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1-methyl-N-({3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine

ChemBase ID: 321218
Molecular Formular: C17H25N5OS
Molecular Mass: 347.4783
Monoisotopic Mass: 347.17798145
SMILES and InChIs

SMILES:
n1c(onc1CSC)CN(C1CCN(CC1)C)Cc1cnccc1
Canonical SMILES:
CSCc1noc(n1)CN(C1CCN(CC1)C)Cc1cccnc1
InChI:
InChI=1S/C17H25N5OS/c1-21-8-5-15(6-9-21)22(11-14-4-3-7-18-10-14)12-17-19-16(13-24-2)20-23-17/h3-4,7,10,15H,5-6,8-9,11-13H2,1-2H3
InChIKey:
FJPYKQJHZOUZQO-UHFFFAOYSA-N

Cite this record

CBID:321218 http://www.chembase.cn/molecule-321218.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-N-({3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
IUPAC Traditional name
1-methyl-N-({3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
Synonyms
1-methyl-N-({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)-N-(3-pyridinylmethyl)-4-piperidinamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11115716 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.8191141  LogD (pH = 7.4) 0.010842044 
Log P 1.4819651  Molar Refractivity 99.5552 cm3
Polarizability 37.928368 Å3 Polar Surface Area 58.29 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.59  LOG S -0.78 
Polar Surface Area 58.29 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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